Oxayohimban-16-carboxylic acid, 16,17,20,21-tetradehydro-19-methyl-, methyl ester, (19α)-

CAS Registry Number®

63661-74-5
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CAS Name

Oxayohimban-16-carboxylic acid, 16,17,20,21-tetradehydro-19-methyl-, methyl ester, (19α)-

Molecular Formula

C21H22N2O3

Molecular Mass

350.41

Cite this Page

Oxayohimban-16-carboxylic acid, 16,17,20,21-tetradehydro-19-methyl-, methyl ester, (19α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63661-74-5 (retrieved 2024-09-19) (CAS RN: 63661-74-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1

InChIKey

InChIKey=BXTHVTLKWJZGAA-ODYMNIRHSA-N

SMILES

C(OC)(=O)C=1[C@]2(C[C@]3(C4=C(C=5C(N4)=CC=CC5)CCN3C=C2[C@H](C)OC1)[H])[H]

Canonical SMILES

O=C(OC)C1=COC(C2=CN3CCC=4C=5C=CC=CC5NC4C3CC12)C

Other Names for this Substance

  • Oxayohimban-16-carboxylic acid, 16,17,20,21-tetradehydro-19-methyl-, methyl ester, (19α)-
  • 20,21-Didehydroajmalicine
  • Cathenamine